SCHEMBL23828012

SCHEMBL23828012

CC(C)CC(CO)Nc1nc(SC(C)c2ccccc2Cl)nc2[nH]c(=O)sc12

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.77
CX3CR1 P49238 19/20 0.77
HTR1B P28222 1/20 0.51
ADORA1 P30542 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23828009 1.00 CXCR2 (0.77) CXCR2CX3CR1HTR1BADORA1
SCHEMBL31199187 1.00 CXCR2 (0.77) CXCR2CX3CR1HTR1BADORA1
SCHEMBL213072 0.89 CXCR2 (0.80) CXCR2CX3CR1ADORA1
SCHEMBL23828030 0.88 CXCR2 (0.61) CXCR2CX3CR1HTR1BADORA1
SCHEMBL21615418 0.88 CXCR2 (0.61) CXCR2CX3CR1HTR1BADORA1
SCHEMBL213766 0.87 CXCR2 (1.00) CXCR2CX3CR1ADORA1
SCHEMBL4129653 0.87 CXCR2 (1.00) CXCR2CX3CR1ADORA1
SCHEMBL212748 0.87 CXCR2 (1.00) CXCR2CX3CR1ADORA1
SCHEMBL213886 0.87 CXCR2 (1.00) CXCR2CX3CR1ADORA1
SCHEMBL212230 0.87 CXCR2 (0.73) CXCR2CX3CR1ADORA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060380-B2 Phosphate and phosphonate derivatives of 7-amino-5-thio-thiazolo[4,5-d]pyrimidines and their use in treating conditions associated with elevated levels of CX3CR1 and/or CX3CL1 KANCERA AB (SE) 2024-08-13 US disclosed
EP-3818065-B1 PHOSPHATE AND PHOSPHONATE DERIVATIVES OF 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES AND THEIR USE IN TREATING CONDITIONS ASSOCIATED WITH ELEVATED LEVELS OF CX3CR1 AND/OR CX3CL1 KANCERA AB (SE) 2023-03-15 EP disclosed
US-11339183-B2 Phosphate and phosphonate derivatives of 7-amino-5-thio-thiazolo[4,5-d]pyrimidines and their use in treating conditions associated with elevated levels of CX3CR1 and/or CX3CL1 KANCERA AB (SE) 2022-05-24 US disclosed
US-20210340167-A1 PHOSPHATE AND PHOSPHONATE DERIVATIVES OF 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES AND THEIR USE IN TREATING CONDITIONS ASSOCIATED WITH ELEVATED LEVELS OF CX3CR1 AND/OR CX3CL1 KANCERA AB (SE) 2021-11-04 US disclosed
US-20210292349-A1 PHOSPHATE AND PHOSPHONATE DERIVATIVES OF 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES AND THEIR USE IN TREATING CONDITIONS ASSOCIATED WITH ELEVATED LEVELS OF CX3CR1 AND/OR CX3CL1 KANCERA AB (SE) 2021-09-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12060380-B2 Phosphate and phosphonate derivatives of 7-amino-5-thio-thiazolo[4,5-d]pyrimidines and their use in treating conditions associated with elevated levels of CX3CR1 and/or CX3CL1 CX3CR1, CXCR3, CXCR1 CXCR2 16/4885CX3CR1 1/4885HTR1B 876/4885
US-11339183-B2 Phosphate and phosphonate derivatives of 7-amino-5-thio-thiazolo[4,5-d]pyrimidines and their use in treating conditions associated with elevated levels of CX3CR1 and/or CX3CL1 CX3CR1, CCR5, CXCR1 CXCR2 16/4885CX3CR1 1/4885HTR1B 878/4885
US-20210340167-A1 PHOSPHATE AND PHOSPHONATE DERIVATIVES OF 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES AND THEIR USE IN TREATING CONDITIONS ASSOCIATED WITH ELEVATED LEVELS OF CX3CR1 AND/OR CX3CL1 CX3CR1, CCR5, CXCR1 CXCR2 16/4885CX3CR1 1/4885HTR1B 878/4885
US-20210292349-A1 PHOSPHATE AND PHOSPHONATE DERIVATIVES OF 7-AMINO-5-THIO-THIAZOLO[4,5-D]PYRIMIDINES AND THEIR USE IN TREATING CONDITIONS ASSOCIATED WITH ELEVATED LEVELS OF CX3CR1 AND/OR CX3CL1 CX3CR1, CXCR3, CXCR1 CXCR2 16/4885CX3CR1 1/4885HTR1B 876/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.